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CHEBI:111679 - 1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

ChEBI IDCHEBI:111679
ChEBI Name1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
Stars
DownloadsMolfile
FormulaC33H40N4O7
Net Charge0
Average Mass604.704
Monoisotopic Mass604.28970
SMILESCOc1ccc(CN(C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C33H40N4O7/c1-21-16-37(22(2)19-38)32(39)14-24-13-25(34-33(40)35-26-8-12-29-30(15-26)43-20-42-29)7-11-28(24)44-31(21)18-36(3)17-23-5-9-27(41-4)10-6-23/h5-13,15,21-22,31,38H,14,16-20H2,1-4H3,(H2,34,35,40)/t21-,22-,31+/m0/s1
InChIKeyVJXHRMPDQSPMOP-GUARRIROSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (CHEBI:111679) is a benzodioxoles (CHEBI:38298)
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